CID 54592597

2-(piperazin-1-ylmethyl)-4-(propan-2-yl)morpholine

Structural Information

Molecular Formula
C12H25N3O
SMILES
CC(C)N1CCOC(C1)CN2CCNCC2
InChI
InChI=1S/C12H25N3O/c1-11(2)15-7-8-16-12(10-15)9-14-5-3-13-4-6-14/h11-13H,3-10H2,1-2H3
InChIKey
ALTPGGUBKWRYOA-UHFFFAOYSA-N
Compound name
2-(piperazin-1-ylmethyl)-4-propan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

227.19977 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.207046 159.6
[M+Na]+ 250.188988 161.1
[M-H]- 226.192494 159.1
[M+NH4]+ 245.233593 170.8
[M+K]+ 266.162928 159.5
[M+H-H2O]+ 210.197030 149.8
[M+HCOO]- 272.197971 168.6
[M+CH3COO]- 286.213621 187.9
[M+Na-2H]- 248.174436 160.6
[M]+ 227.19922142 150.7
[M]- 227.20031858 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe